Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25721686 | 0.81 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21065977 | 0.81 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL903397 | 0.81 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL14350539 | 0.81 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL21066070 | 0.80 | CYP2D6 (0.40) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL5656221 | 0.80 | CYP2D6 (0.40) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL14377435 | 0.79 | CYP2D6 (0.34) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL26420914 | 0.78 | CYP2D6 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16689237 | 0.78 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12763204 | 0.77 | CYP2D6 (0.33) | CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012123423-A1 | N-CARBOXYALKYL-AURISTATINS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-09-20 | — | — | WO | disclosed |
| WO-2012041805-A1 | N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-04-05 | — | — | WO | disclosed |